Prediksi aktivitas Piper retrofractum Vahl terhadap reseptor EGFR yang berkontribusi terhadap kanker paru paru menggunakan docking

Samsul Hadi; Nor khadijah; Noor Rahmi  Febriani

doi:10.58794/jfarm.v3i1.1276

Authors

Samsul Hadi Unversitas Lambung Mangkurat
Nor khadijah Universitas Lambung Mangkurat
Noor Rahmi Febriani Universitas Lambung Mangkurat

DOI:

https://doi.org/10.58794/jfarm.v3i1.1276

Keywords:

kanker paru, piper retrofractum, docking

Abstract

Kanker paru-paru merupakan salah satu penyebab utama kematian di dunia, dengan angka kejadian yang terus meningkat. Salah satu faktor utama dalam perkembangan kanker ini adalah mutasi pada reseptor faktor pertumbuhan epidermal (EGFR), yang berperan dalam proliferasi sel.Penelitian ini bertujuan untuk memprediksi potensi senyawa dalam Piper retrofractum Vahl sebagai inhibitor EGFR menggunakan metode molecular docking. Metodologi penelitian yaitu struktur EGFR diperoleh dari Protein Data Bank dan diproses menggunakan PyMOL, sedangkan senyawa aktif dari Piper retrofractum dikaji menggunakan perangkat lunak PLANTS. Analisis interaksi molekuler dilakukan dengan Discovery Studio berdasarkan afinitas pengikatan dan residu yang berinteraksi. Hasil penelitian menunjukkan bahwa dari lima senyawa yang diuji, Retrofractamide C memiliki skor docking terbaik (-102.076), mendekati skor inhibitor EGFR yang telah diketahui (-106.882). Senyawa ini menunjukkan interaksi dengan residu kunci EGFR, seperti MET793, GLN791, VAL726, dan ALA743, yang juga berinteraksi dengan ligand native. Pipereicosalidine memiliki skor docking paling rendah (-116.765), tetapi interaksi residunya menunjukkan perbedaan dengan ligand native. Senyawa lainnya, seperti Retrofractamide A, Piperlongumine, dan Piperine, memiliki skor docking lebih tinggi dan interaksi yang kurang optimal dengan EGFR. Berdasarkan hasil tersebut, diperoleh Kesimpulan retrofractamide C dari Piper retrofractum Vahl memiliki potensi sebagai inhibitor EGFR yang dapat dikembangkan lebih lanjut dalam terapi kanker paru-paru. Studi lanjutan, termasuk uji in vitro dan in vivo, diperlukan untuk mengonfirmasi efektivitas dan mekanisme kerja senyawa ini dalam sistem biologis.

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